| SpectraBase Compound ID | 3T6ei40i8NR |
|---|---|
| InChI | InChI=1S/C35H40O16/c1-16-26(47-30(42)17-8-4-2-5-9-17)25(41)28(48-31(43)18-10-6-3-7-11-18)34(45-16)49-27-19-12-13-44-32(21(19)35(15-37)29(27)51-35)50-33-24(40)23(39)22(38)20(14-36)46-33/h2-13,16,19-29,32-34,36-41H,14-15H2,1H3/t16-,19-,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,32+,33-,34-,35-/m1/s1 |
| InChIKey | HQWXDLVYDLJFNJ-NNXVEGSOSA-N |
| Mol Weight | 716.7 g/mol |
| Molecular Formula | C35H40O16 |
| Exact Mass | 716.231635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2B1Mp9ioQIU |
|---|---|
| Name | GMELINOSIDE-J |
| Compound Number | 80 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40O16 |
| InChI | InChI=1S/C35H40O16/c1-16-26(47-30(42)17-8-4-2-5-9-17)25(41)28(48-31(43)18-10-6-3-7-11-18)34(45-16)49-27-19-12-13-44-32(21(19)35(15-37)29(27)51-35)50-33-24(40)23(39)22(38)20(14-36)46-33/h2-13,16,19-29,32-34,36-41H,14-15H2,1H3/t16-,19-,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,32+,33-,34-,35-/m1/s1 |
| InChIKey | HQWXDLVYDLJFNJ-NNXVEGSOSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 716.693 g/mol |
| Sample ID | 37877 |
| Solvent | CD3OD |